2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one

C19H17Cl2N3O2 — CID 136779002

IUPAC2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(Cl)cc1Nc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-15(9-12-3-5-13(20)6-4-12)18(25)24-19(22-11)23-16-10-14(21)7-8-17(16)26-2/h3-8,10H,9H2,1-2H3,(H2,22,23,24,25)
InChIKeySKEGRXWLVBSWPL-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.73
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one

2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136779002) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136779002
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(Cl)cc1Nc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C19H17Cl2N3O2/c1-11-15(9-12-3-5-13(20)6-4-12)18(25)24-19(22-11)23-16-10-14(21)7-8-17(16)26-2/h3-8,10H,9H2,1-2H3,(H2,22,23,24,25)
InChIKeySKEGRXWLVBSWPL-UHFFFAOYSA-N
XLogP4.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-2-(4-chloro-2-methylanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779025
6-benzyl-3-(5-chloro-2-methoxyanilino)-4H-1,2,4-triazin-5-one
CID 135561041
5-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 136780202
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135469041
5-[(4-chlorophenyl)methyl]-4-methyl-2-(1-phenylethylamino)-1H-pyrimidin-6-one
CID 136779695
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
3-(2,5-dimethoxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561089
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
2-(4-chloroanilino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136740952
2-(2-methoxyanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135402451
5-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135644716

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one (CID 136779002) is 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one is COc1ccc(Cl)cc1Nc1nc(C)c(Cc2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SKEGRXWLVBSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11-15(9-12-3-5-13(20)6-4-12)18(25)24-19(22-11)23-16-10-14(21)7-8-17(16)26-2/h3-8,10H,9H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one?
2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 390.27 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).